Dataset

Forskolin

This MassBank record with Accession MSBNK-Fiocruz-FIO00543 contains the MS2 mass spectrum of Forskolin with the InChIkey OHCQJHSOBUTRHG-KGGHGJDLSA-N.

InChI	InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
SMILES	CC(=O)O[C@@H]([C@@H](O)1)[C@@](C)(O3)[C@](O)(C(=O)C[C@](C)(C=C)3)[C@@](C)([C@@H](O)2)[C@]([H])(C(C)(C)CC2)1
InChI Key	OHCQJHSOBUTRHG-KGGHGJDLSA-N
Molecular Formula	C22H34O7
Exact Mass	410.230 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00543
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:35:39.421246
MetadataModified	2024-01-11T16:35:39.584962
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15080267	PubChem: Thomson Pharma
14855314	PubChem: Thomson Pharma
forskolin	Atlas
PD007842	ProbesDrugs
forskolin	Selleck
colforsin	Atlas
1F7A44V6OU	FDA SRS
66428-89-5	ACToR
66575-29-9	ACToR
LSM-2193	LINCS
47936	PubChem
PA146096022	PharmGKB
CB0167677	ChemicalBook
MTBLC42471	Metabolights
20177307	NMRShiftDB
SCHEMBL4928	SureChEMBL
30154577	eMolecules
513222	eMolecules
29549118	eMolecules
DB02587	DrugBank
12013584	PubChem: Drugs of the Future
CHEMBL52606	ChEMBL
FOK	PDBe
42471	ChEBI
C09076	KEGG Ligand
COLFORSIN	clinicaltrials
FORSKOLIN	clinicaltrials
HY-15371	MedChemExpress
DTXSID8040484	EPA CompTox Dashboard
LMPR0104030004	LipidMaps
50010261	BindingDB
5190	Guide to Pharmacology
J22.273I	Nikkaji
FRSKLN	CCDC
ZINC000003977779	ZINC
The data in this table is sourced from UniChem at EBI.